4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one

C13H22N2O — CID 105479635

IUPAC4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCNCCCc1ccn(CC(C)C)c(=O)c1
InChIInChI=1S/C13H22N2O/c1-11(2)10-15-8-6-12(9-13(15)16)5-4-7-14-3/h6,8-9,11,14H,4-5,7,10H2,1-3H3
InChIKeyQMEGAGGFYWNCQF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.66
Rot. Bonds6

About 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one

4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one (PubChem CID 105479635) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one
PubChem CID105479635
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCNCCCc1ccn(CC(C)C)c(=O)c1
InChIInChI=1S/C13H22N2O/c1-11(2)10-15-8-6-12(9-13(15)16)5-4-7-14-3/h6,8-9,11,14H,4-5,7,10H2,1-3H3
InChIKeyQMEGAGGFYWNCQF-UHFFFAOYSA-N
XLogP1.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one (CID 105479635) is 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one is CNCCCc1ccn(CC(C)C)c(=O)c1.
What is the InChIKey of 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is QMEGAGGFYWNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)10-15-8-6-12(9-13(15)16)5-4-7-14-3/h6,8-9,11,14H,4-5,7,10H2,1-3H3.
What are the key properties of 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one?
4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 105479635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).